SCHEMBL18308763

SCHEMBL18308763

Cc1ccc(-c2ccc(-c3ccc(P)cc3)c(C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ HPRT1 P00492 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ ALKBH3 Q96Q83 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18308786 1.00 ESR2 (0.37) ESR2HSD17B1TDP1ALDH1A1CYP3A4
SCHEMBL18308742 0.94 ESR2 (0.41) ESR2HSD17B1TDP1ALDH1A1CYP3A4
SCHEMBL18308787 0.90 ESR2 (0.40) ESR2HSD17B1TDP1ALDH1A1ESR1
SCHEMBL18308791 0.90 ESR2 (0.38) ESR2HSD17B1TDP1ALDH1A1ESR1
SCHEMBL22111431 0.89 ESR2 (0.43) ESR2HSD17B1TDP1ALDH1A1CYP3A4
SCHEMBL19618901 0.89 ESR2 (0.43) ESR2HSD17B1TDP1ALDH1A1CYP3A4
SCHEMBL18308741 0.88 ESR2 (0.41) ESR2HSD17B1TDP1ALDH1A1ESR1
SCHEMBL18308734 0.88 ESR2 (0.39) ESR2HSD17B1TDP1ALDH1A1ESR1
SCHEMBL18308754 0.85 ESR2 (0.41) ESR2HSD17B1TDP1ALDH1A1CYP3A4
SCHEMBL18308792 0.84 HPRT1 (0.38) TDP1PDK2MCL1HPRT1ALKBH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 — — US disclosed
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 ESR2 4146/4885HSD17B1 4322/4885TDP1 3248/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR2 4322/4885HSD17B1 4477/4885TDP1 3487/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ESR2 4381/4885HSD17B1 4390/4885TDP1 2439/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback